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• W2068584188 endingPage "012022" @default.
• W2068584188 startingPage "012022" @default.
• W2068584188 abstract "Site-dependent C1s-core excitation spectra of small acetaldehyde (AAL) clusters have been studied under the cluster regime of beam conditions. The excitation spectra of the clusters were generated by monitoring the partial-ion-yields of cluster-origin fragments. Comparison of the cluster bands with the monomer bands revealed that the band intensities of C1s core-to-Rydberg transitions come to be strongly excitation-site dependent upon cluster formation showing significant reduction of C1sHCO→Ryd bands relative to the monomer bands. Computer modeling of X-ray absorption spectra using a density functional theory calculation demonstrated that the intensity reduction is the outcome of the site- and geometry-specific CH...O interaction where hydrogen-bonding association between the aldehyde (HCO) sites of different AAL molecules takes place exclusively within the clusters. As the representatives of small AAL clusters (n≥3), two types of molecular complexes (a planar cyclic trimer and a tetramer with a stack of two dimers) were derived to rationalize the site-dependence of the experimental C1s excitation spectra. Spectral simulation of the above complexes could reproduce the experimental site-dependence of the core-to-Rydberg band-features upon clusterization, indicative of significant contribution of these clusters under the present beam-stagnation condition." @default.
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• W2068584188 date "2011-04-01" @default.
• W2068584188 modified "2023-09-23" @default.
• W2068584188 title "Site- and geometry-specific CH…O interaction in small acetaldehyde clusters studied with core-electron excitation spectroscopy in the carbonK-edge region" @default.
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• W2068584188 doi "https://doi.org/10.1088/1742-6596/288/1/012022" @default.
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